METHIMAZOLE

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Trade Names
Synonyms
Status
Molecule Category Free-form
UNII 554Z48XN5E
EPA CompTox DTXSID4020820

Structure

InChI Key PMRYVIKBURPHAH-UHFFFAOYSA-N
Smiles Cn1ccnc1S
InChI
InChI=1S/C4H6N2S/c1-6-3-2-5-4(6)7/h2-3H,1H3,(H,5,7)

Physicochemical Descriptors

Property Name Value
Molecular Formula C4H6N2S
Molecular Weight 114.17
AlogP 1.08
Hydrogen Bond Acceptor 2.0
Hydrogen Bond Donor 1.0
Polar Surface Area 20.72
Molecular species NEUTRAL
Aromatic Rings 1.0
Heavy Atoms 7.0

Pharmacology

Mechanism of Action Action Reference
Thyroid peroxidase inhibitor INHIBITOR DailyMed
Targets EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Transporter Electrochemical transporter SLC superfamily of solute carriers SLC21/SLCO family of organic anion transporting polypeptides
- - - - 105.63-111.68
Transporter Electrochemical transporter SLC superfamily of solute carriers SLC22 family of organic cation and anion transporters
- - - - 11.6
EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Cricetulus griseus
- - - - 105.63-111.68
Homo sapiens
- - - - 11.6
Mus musculus
- - - - 88.7

Cross References

Resources Reference
CAS NUMBER 60-56-0
ChEBI 50673
ChEMBL CHEMBL1515
DrugBank DB00763
DrugCentral 1745
FDA SRS 554Z48XN5E
Human Metabolome Database HMDB0014901
Guide to Pharmacology 6649
KEGG C07190
PDB MMZ
PharmGKB PA450422
PubChem 1349907
SureChEMBL SCHEMBL41647
ZINC ZINC000001187543
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